1H-pyrazole-3-carboxylic acid, 1-[[[4-amino-5-(difluoromethyl)-4H-1,2,4-triazol-3-yl]thio]methyl]-, methyl ester

SpectraBase Compound ID	3x99EKXEssu
InChI	InChI=1S/C9H10F2N6O2S/c1-19-8(18)5-2-3-16(15-5)4-20-9-14-13-7(6(10)11)17(9)12/h2-3,6H,4,12H2,1H3
InChIKey	YABKWAWBXJVBHE-UHFFFAOYSA-N Google Search
Mol Weight	304.28 g/mol
Molecular Formula	C9H10F2N6O2S
Exact Mass	304.055401 g/mol

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SpectraBase Spectrum ID	207pkQidL0h
Name	1H-pyrazole-3-carboxylic acid, 1-[[[4-amino-5-(difluoromethyl)-4H-1,2,4-triazol-3-yl]thio]methyl]-, methyl ester
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C9H10F2N6O2S/c1-19-8(18)5-2-3-16(15-5)4-20-9-14-13-7(6(10)11)17(9)12/h2-3,6H,4,12H2,1H3
InChIKey	YABKWAWBXJVBHE-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_11628_6756
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: R00391; Labnumber: RIBS-10391